SCHEMBL6090522

SCHEMBL6090522

CCOC(=O)COc1ccc([C@@H]2NC(=O)c3cccc4c3N2CC[C@H]4N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
APEX1 P27695 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6091091 1.00 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2KDM4EALOX15
SCHEMBL6091124 0.84 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2KDM4EALOX15
SCHEMBL6090472 0.83 GPR174 (0.36) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL6093009 0.83 GPR174 (0.36) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL6092971 0.82 KDM4E (0.42) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL6089444 0.82 KDM4E (0.42) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL6091289 0.82 KDM4E (0.42) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL6089125 0.82 KDM4E (0.42) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL6089696 0.82 TNKS2 (0.39) ALDH1A1CYP1A2KDM4EALOX15NPSR1
SCHEMBL6090392 0.82 TNKS2 (0.39) ALDH1A1CYP1A2KDM4EALOX15NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 ALDH1A1 1890/4885MAPT 497/4885CYP1A2 3939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.